SMILES:
CC(=O)Nc1nc(C)c(C2(NS(=O)(=O)c3ccccc3)C=NC=CN2)s1Molecular Processing
Molecular formula
C16H17N5O3S2
Molecular weight
391.48
Exact mass
391.0773
XLogP
1.69
TPSA
112.55
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
100.36
Supplementary Information
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